Glycoside
GD023391
Name:
NoneFormula:
C16H20O4N8SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@H](N)Cc2cscn2)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(N)Cc1cscn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.46 | Num_heavy_atoms: | 29 |
| TPSA: | 187.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD15741
Formula: C7H11ON3S
Smiles:
CNC(=O)C(N)Cc1cscn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 185.25 | Num_heavy_atoms: | 12 |
| TPSA: | 68.01 | NumAromaticRings: | 1 |
